1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea

C14H20ClN3O4S — CID 156583823

IUPAC1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O4S/c1-18(2)23(20,21)9-10-7-22-8-13(10)17-14(19)16-12-5-3-11(15)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H2,16,17,19)/t10-,13-/m0/s1
InChIKeyZOAHKWNMCYTJQX-GWCFXTLKSA-N
MW361.85 g/mol
LogP1.37
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea

1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea (PubChem CID 156583823) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea
PubChem CID156583823
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC Name1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O4S/c1-18(2)23(20,21)9-10-7-22-8-13(10)17-14(19)16-12-5-3-11(15)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H2,16,17,19)/t10-,13-/m0/s1
InChIKeyZOAHKWNMCYTJQX-GWCFXTLKSA-N
XLogP1.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135091810
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
5-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]naphthalene-1-carboxamide
CID 135103204
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzamide
CID 135090773
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135106288
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135094048

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea (CID 156583823) is 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea?
The InChIKey is ZOAHKWNMCYTJQX-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-18(2)23(20,21)9-10-7-22-8-13(10)17-14(19)16-12-5-3-11(15)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H2,16,17,19)/t10-,13-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea?
1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea has a molecular weight of 361.85 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea is sourced from PubChem (CID 156583823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).